2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide

C18H20N2O2 — CID 92657855

IUPAC2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)Cc2ccc(C)cc2C)c1
InChIInChI=1S/C18H20N2O2/c1-13-7-8-16(14(2)9-13)11-18(21)20-19-12-15-5-4-6-17(10-15)22-3/h4-10,12H,11H2,1-3H3,(H,20,21)/b19-12-
InChIKeyDBCLXBBSDJQNEC-UNOMPAQXSA-N
MW296.37 g/mol
LogP3.00
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide

2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 92657855) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
PubChem CID92657855
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)Cc2ccc(C)cc2C)c1
InChIInChI=1S/C18H20N2O2/c1-13-7-8-16(14(2)9-13)11-18(21)20-19-12-15-5-4-6-17(10-15)22-3/h4-10,12H,11H2,1-3H3,(H,20,21)/b19-12-
InChIKeyDBCLXBBSDJQNEC-UNOMPAQXSA-N
XLogP3.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenyl)-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657857
N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773
2-(2,4-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide
CID 99944759
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143775
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143842
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944791
N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689442
2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 110515236
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727503
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170937
2-(2,5-dimethylphenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126364736

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide (CID 92657855) is 2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(/C=N\NC(=O)Cc2ccc(C)cc2C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is DBCLXBBSDJQNEC-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-7-8-16(14(2)9-13)11-18(21)20-19-12-15-5-4-6-17(10-15)22-3/h4-10,12H,11H2,1-3H3,(H,20,21)/b19-12-.
What are the key properties of 2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 92657855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).